Abstract

In this paper, we theoretically investigate the interaction between graphene and hexagonal boron nitride (h-BN), including band structure, effective masses, and optical absorption from deep ultraviolet to IR region. It is found that transparency excitons at near violet, visible, near IR and IR are with different physical mechanism of optical absorption in the graphene/h-BN heterostructure. Three of them are the interfacial charge transfer mechanism, and one is the intra-valance band transitions with assistance of phonon of h-BN, and the later transparency exciton is the evidence that graphene plasmon couples with the phonon of h-BN with 1380 cm−1. The band gap of graphene on h-BN substrate with different layers can be well manipulated. Our results reveal detailed interaction between graphene and h-BN, as well as optical properties of transparency excitons in graphene/h-BN heterostructures.

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